SCHEMBL338620

SCHEMBL338620

CCN(C(=O)c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.41
DPP4 P27487 6/20 0.39
DPP8 Q6V1X1 6/20 0.39
DPP9 Q86TI2 3/20 0.39
USP30 Q70CQ3 1/20 0.36
TSHR P16473 1/20 0.36
SLC2A2 P11168 1/20 0.34
IDO1 P14902 1/20 0.34
SLC6A9 P48067 2/20 0.33
KCNH2 Q12809 2/20 0.33
SLC6A5 Q9Y345 2/20 0.33
ALPL P05186 1/20 0.33
TGFBR1 P36897 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL338911 0.90 DPP4 (0.40) DPP4DPP8DPP9USP30SLC2A2
SCHEMBL338817 0.81 DPP4 (0.52) DPP4DPP8DPP9USP30TGFBR1
SCHEMBL338672 0.79 DPP4 (0.49) DPP4DPP8DPP9ALPLTGFBR1
SCHEMBL868834 0.77 DPP4 (0.39) DPP4DPP8DPP9ALPLTGFBR1
SCHEMBL339710 0.76 DPP4 (0.41) DPP4DPP8DPP9SLC2A2
SCHEMBL339324 0.76 ALDH1A1 (0.39) DPP4DPP8DPP9TSHR
SCHEMBL339827 0.76 DPP4 (0.43) DPP4DPP8DPP9TSHRSLC2A2
SCHEMBL339083 0.76 DPP4 (0.39) DPP4DPP8DPP9USP30TSHR
SCHEMBL339876 0.75 DPP4 (0.42) DPP4DPP8DPP9SLC2A2TGFBR1
SCHEMBL338816 0.75 DPP4 (0.40) DPP4DPP8DPP9ALPL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC ADORA2A 3749/4885DPP4 120/4885DPP8 403/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ADORA2A 3749/4885DPP4 120/4885DPP8 403/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.